ACCESSION: MSBNK-EPA-ENTACT_AGILENT002031
RECORD_TITLE: Methyl phenylacetate; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Methyl phenylacetate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₂
CH$EXACT_MASS: 150.0680795636
CH$SMILES: COC(=O)CC1C=CC=CC=1
CH$IUPAC: InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
CH$LINK: CAS 101-41-7
CH$LINK: INCHIKEY CRZQGDNQQAALAY-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7559

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 151.0753560153
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-9000000000-023e3a2a59426b4f8380
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  45.033491 4.951621 49
  61.007276 5.863283 58
  62.015101 3.065959 30
  63.994366 29.67582 296
  79.017841 100 999
  79.054227 2.169989 21
//